tert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate

C26H31FN6O5 — CID 139425536

IUPACtert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Nc2cccn([C@H]3C[C@@H]3F)c2=O)cc2c(C(=O)NC3CCC3O)cnn12
InChIInChI=1S/C26H31FN6O5/c1-26(2,3)38-25(37)31(4)22-11-14(29-18-6-5-9-32(24(18)36)20-12-16(20)27)10-19-15(13-28-33(19)22)23(35)30-17-7-8-21(17)34/h5-6,9-11,13,16-17,20-21,29,34H,7-8,12H2,1-4H3,(H,30,35)/t16-,17?,20-,21?/m0/s1
InChIKeyARANMEHDHPMVEF-PLZJKPGVSA-N
MW526.57 g/mol
LogP3.15
Rot. Bonds6

About tert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate

tert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate (PubChem CID 139425536) has the molecular formula C26H31FN6O5 and a molecular weight of 526.57 g/mol. Its IUPAC name is tert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate
PubChem CID139425536
Molecular FormulaC26H31FN6O5
Molecular Weight526.57 g/mol
Exact Mass526.23
IUPAC Nametert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Nc2cccn([C@H]3C[C@@H]3F)c2=O)cc2c(C(=O)NC3CCC3O)cnn12
InChIInChI=1S/C26H31FN6O5/c1-26(2,3)38-25(37)31(4)22-11-14(29-18-6-5-9-32(24(18)36)20-12-16(20)27)10-19-15(13-28-33(19)22)23(35)30-17-7-8-21(17)34/h5-6,9-11,13,16-17,20-21,29,34H,7-8,12H2,1-4H3,(H,30,35)/t16-,17?,20-,21?/m0/s1
InChIKeyARANMEHDHPMVEF-PLZJKPGVSA-N
XLogP3.15
TPSA130.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.57
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate with MolForge

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Related Compounds

tert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[[(2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 146569590
tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 146569587
tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 146572580
tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 146559341
tert-butyl N-[3-[(2-fluorocyclopropyl)carbamoyl]-5-[[2-oxo-1-(4-oxocyclohexyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethane
CID 142523802
5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450055
tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[[1-[(3R)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 146560048
tert-butyl N-[5-[[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 146570244
tert-butyl N-[5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 146570161
tert-butyl N-[5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 146571116
N-(2-hydroxycyclobutyl)-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 139425648
tert-butyl N-[5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 139373516

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate (CID 139425536) is tert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn([C@H]3C[C@@H]3F)c2=O)cc2c(C(=O)NC3CCC3O)cnn12.
What is the InChIKey of tert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate?
The InChIKey is ARANMEHDHPMVEF-PLZJKPGVSA-N. The full InChI is InChI=1S/C26H31FN6O5/c1-26(2,3)38-25(37)31(4)22-11-14(29-18-6-5-9-32(24(18)36)20-12-16(20)27)10-19-15(13-28-33(19)22)23(35)30-17-7-8-21(17)34/h5-6,9-11,13,16-17,20-21,29,34H,7-8,12H2,1-4H3,(H,30,35)/t16-,17?,20-,21?/m0/s1.
What are the key properties of tert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate?
tert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate has a molecular weight of 526.57 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 139425536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).