(6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H23N5O2 — CID 136817521

IUPAC(6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cccc2c1OCC[C@@H]2NC[C@H]1CNc2c(C(N)=O)cnn2C1
InChIInChI=1S/C18H23N5O2/c1-11-3-2-4-13-15(5-6-25-16(11)13)20-7-12-8-21-18-14(17(19)24)9-22-23(18)10-12/h2-4,9,12,15,20-21H,5-8,10H2,1H3,(H2,19,24)/t12-,15-/m0/s1
InChIKeyUTSHSSZJEIOLGZ-WFASDCNBSA-N
MW341.42 g/mol
LogP1.45
Rot. Bonds4

About (6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136817521) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136817521
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cccc2c1OCC[C@@H]2NC[C@H]1CNc2c(C(N)=O)cnn2C1
InChIInChI=1S/C18H23N5O2/c1-11-3-2-4-13-15(5-6-25-16(11)13)20-7-12-8-21-18-14(17(19)24)9-22-23(18)10-12/h2-4,9,12,15,20-21H,5-8,10H2,1H3,(H2,19,24)/t12-,15-/m0/s1
InChIKeyUTSHSSZJEIOLGZ-WFASDCNBSA-N
XLogP1.45
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

(6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136727602
(4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
CID 136905471
(4R)-8-methyl-N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
CID 136877406
(6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136872646
(6S)-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136811502
N-(cyclopentylmethyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43775582
(6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136769197
8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43511874
(6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136727612
3-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]propanoic acid
CID 43774861
N-[2-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]ethyl]acetamide
CID 43770391
N'-(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethane-1,2-diamine
CID 60888767

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136817521) is (6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cccc2c1OCC[C@@H]2NC[C@H]1CNc2c(C(N)=O)cnn2C1.
What is the InChIKey of (6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UTSHSSZJEIOLGZ-WFASDCNBSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11-3-2-4-13-15(5-6-25-16(11)13)20-7-12-8-21-18-14(17(19)24)9-22-23(18)10-12/h2-4,9,12,15,20-21H,5-8,10H2,1H3,(H2,19,24)/t12-,15-/m0/s1.
What are the key properties of (6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136817521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).