tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate

C27H35FN8O5 — CID 137450415

IUPACtert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate
SMILESCOc1ncccc1Nc1cc(N(CCN2CCOCC2)C(=O)OC(C)(C)C)n2ncc(C(=O)N[C@@H]3C[C@@H]3F)c2n1
InChIInChI=1S/C27H35FN8O5/c1-27(2,3)41-26(38)35(9-8-34-10-12-40-13-11-34)22-15-21(31-19-6-5-7-29-25(19)39-4)33-23-17(16-30-36(22)23)24(37)32-20-14-18(20)28/h5-7,15-16,18,20H,8-14H2,1-4H3,(H,31,33)(H,32,37)/t18-,20+/m0/s1
InChIKeyRWGKMKCTVPRECA-AZUAARDMSA-N
MW570.63 g/mol
LogP2.79
Rot. Bonds9

About tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate

tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate (PubChem CID 137450415) has the molecular formula C27H35FN8O5 and a molecular weight of 570.63 g/mol. Its IUPAC name is tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate
PubChem CID137450415
Molecular FormulaC27H35FN8O5
Molecular Weight570.63 g/mol
Exact Mass570.27
IUPAC Nametert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate
SMILESCOc1ncccc1Nc1cc(N(CCN2CCOCC2)C(=O)OC(C)(C)C)n2ncc(C(=O)N[C@@H]3C[C@@H]3F)c2n1
InChIInChI=1S/C27H35FN8O5/c1-27(2,3)41-26(38)35(9-8-34-10-12-40-13-11-34)22-15-21(31-19-6-5-7-29-25(19)39-4)33-23-17(16-30-36(22)23)24(37)32-20-14-18(20)28/h5-7,15-16,18,20H,8-14H2,1-4H3,(H,31,33)(H,32,37)/t18-,20+/m0/s1
InChIKeyRWGKMKCTVPRECA-AZUAARDMSA-N
XLogP2.79
TPSA135.45 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.63
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)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

N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449661
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449776
(7S)-10-fluorospiro[5,14-dioxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one
CID 162506461
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide
CID 10647512
N-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166630118
(16R)-10-fluoro-16-methyl-14-oxa-2,12,17,21,22,25-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaen-18-one
CID 139553400
N-[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534346
N-(2-methoxy-4-piperidin-1-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534347
5-[(3R)-3-aminopiperidin-1-yl]-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534348
N-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534350
N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534352
5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534357

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate?
The IUPAC name of tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate (CID 137450415) is tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate is COc1ncccc1Nc1cc(N(CCN2CCOCC2)C(=O)OC(C)(C)C)n2ncc(C(=O)N[C@@H]3C[C@@H]3F)c2n1.
What is the InChIKey of tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate?
The InChIKey is RWGKMKCTVPRECA-AZUAARDMSA-N. The full InChI is InChI=1S/C27H35FN8O5/c1-27(2,3)41-26(38)35(9-8-34-10-12-40-13-11-34)22-15-21(31-19-6-5-7-29-25(19)39-4)33-23-17(16-30-36(22)23)24(37)32-20-14-18(20)28/h5-7,15-16,18,20H,8-14H2,1-4H3,(H,31,33)(H,32,37)/t18-,20+/m0/s1.
What are the key properties of tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate?
tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate has a molecular weight of 570.63 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate is sourced from PubChem (CID 137450415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).