(1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate

C49H67N13O9 — CID 165034387

IUPAC(1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1C[C@@H]2O[C@@H]2C1.CO[C@@H]1C[C@@H](Nc2nc(N)nc3cc(-c4ccn[nH]4)ccc23)C[C@H]1O.CO[C@@H]1C[C@H](N)C[C@H]1O.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c(=O)[nH]1
InChIInChI=1S/C17H20N6O2.C16H17N5O2.C10H17NO3.C6H13NO2/c1-25-15-8-10(7-14(15)24)20-16-11-3-2-9(12-4-5-19-23-12)6-13(11)21-17(18)22-16;17-16-19-12-9-10(4-5-11(12)15(22)20-16)13-6-7-18-21(13)14-3-1-2-8-23-14;1-10(2,3)14-9(12)11-6-4-7-8(5-6)13-7;1-9-6-3-4(7)2-5(6)8/h2-6,10,14-15,24H,7-8H2,1H3,(H,19,23)(H3,18,20,21,22);4-7,9,14H,1-3,8H2,(H3,17,19,20,22);6-8H,4-5H2,1-3H3,(H,11,12);4-6,8H,2-3,7H2,1H3/t10-,14+,15+;;6?,7-,8+;4-,5-,6-/m0..1/s1
InChIKeyNDQMYRJHCNZSNA-OXJKTYSOSA-N
MW982.16 g/mol
LogP4.54
Rot. Bonds8

About (1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate

(1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate (PubChem CID 165034387) has the molecular formula C49H67N13O9 and a molecular weight of 982.16 g/mol. Its IUPAC name is (1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate.

Molecular Properties

Compound Name(1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate
PubChem CID165034387
Molecular FormulaC49H67N13O9
Molecular Weight982.16 g/mol
Exact Mass981.52
IUPAC Name(1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1C[C@@H]2O[C@@H]2C1.CO[C@@H]1C[C@@H](Nc2nc(N)nc3cc(-c4ccn[nH]4)ccc23)C[C@H]1O.CO[C@@H]1C[C@H](N)C[C@H]1O.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c(=O)[nH]1
InChIInChI=1S/C17H20N6O2.C16H17N5O2.C10H17NO3.C6H13NO2/c1-25-15-8-10(7-14(15)24)20-16-11-3-2-9(12-4-5-19-23-12)6-13(11)21-17(18)22-16;17-16-19-12-9-10(4-5-11(12)15(22)20-16)13-6-7-18-21(13)14-3-1-2-8-23-14;1-10(2,3)14-9(12)11-6-4-7-8(5-6)13-7;1-9-6-3-4(7)2-5(6)8/h2-6,10,14-15,24H,7-8H2,1H3,(H,19,23)(H3,18,20,21,22);4-7,9,14H,1-3,8H2,(H3,17,19,20,22);6-8H,4-5H2,1-3H3,(H,11,12);4-6,8H,2-3,7H2,1H3/t10-,14+,15+;;6?,7-,8+;4-,5-,6-/m0..1/s1
InChIKeyNDQMYRJHCNZSNA-OXJKTYSOSA-N
XLogP4.54
TPSA327.13 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500982.16
LogP ≤ 54.54
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine
CID 165025068
2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine
CID 165054798

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate?
The IUPAC name of (1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate (CID 165034387) is (1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate.
What is the SMILES notation for (1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate?
The canonical SMILES for (1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate is CC(C)(C)OC(=O)NC1C[C@@H]2O[C@@H]2C1.CO[C@@H]1C[C@@H](Nc2nc(N)nc3cc(-c4ccn[nH]4)ccc23)C[C@H]1O.CO[C@@H]1C[C@H](N)C[C@H]1O.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c(=O)[nH]1.
What is the InChIKey of (1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate?
The InChIKey is NDQMYRJHCNZSNA-OXJKTYSOSA-N. The full InChI is InChI=1S/C17H20N6O2.C16H17N5O2.C10H17NO3.C6H13NO2/c1-25-15-8-10(7-14(15)24)20-16-11-3-2-9(12-4-5-19-23-12)6-13(11)21-17(18)22-16;17-16-19-12-9-10(4-5-11(12)15(22)20-16)13-6-7-18-21(13)14-3-1-2-8-23-14;1-10(2,3)14-9(12)11-6-4-7-8(5-6)13-7;1-9-6-3-4(7)2-5(6)8/h2-6,10,14-15,24H,7-8H2,1H3,(H,19,23)(H3,18,20,21,22);4-7,9,14H,1-3,8H2,(H3,17,19,20,22);6-8H,4-5H2,1-3H3,(H,11,12);4-6,8H,2-3,7H2,1H3/t10-,14+,15+;;6?,7-,8+;4-,5-,6-/m0..1/s1.
What are the key properties of (1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate?
(1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate has a molecular weight of 982.16 g/mol, XLogP of 4.54, 8 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate is sourced from PubChem (CID 165034387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).