tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

C27H33FN6O5 — CID 153486300

IUPACtert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Nc2cccn([C@@H]3C[C@H]3F)c2=O)nc2c(C(=O)CC3CC[C@H](O)C3)cnn12
InChIInChI=1S/C27H33FN6O5/c1-27(2,3)39-26(38)32(4)23-13-22(30-19-6-5-9-33(25(19)37)20-12-18(20)28)31-24-17(14-29-34(23)24)21(36)11-15-7-8-16(35)10-15/h5-6,9,13-16,18,20,35H,7-8,10-12H2,1-4H3,(H,30,31)/t15?,16-,18+,20+/m0/s1
InChIKeyQRLDNIQQFWMPBR-IQXZIZCFSA-N
MW540.60 g/mol
LogP4.02
Rot. Bonds7

About tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (PubChem CID 153486300) has the molecular formula C27H33FN6O5 and a molecular weight of 540.60 g/mol. Its IUPAC name is tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
PubChem CID153486300
Molecular FormulaC27H33FN6O5
Molecular Weight540.60 g/mol
Exact Mass540.25
IUPAC Nametert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Nc2cccn([C@@H]3C[C@H]3F)c2=O)nc2c(C(=O)CC3CC[C@H](O)C3)cnn12
InChIInChI=1S/C27H33FN6O5/c1-27(2,3)39-26(38)32(4)23-13-22(30-19-6-5-9-33(25(19)37)20-12-18(20)28)31-24-17(14-29-34(23)24)21(36)11-15-7-8-16(35)10-15/h5-6,9,13-16,18,20,35H,7-8,10-12H2,1-4H3,(H,30,31)/t15?,16-,18+,20+/m0/s1
InChIKeyQRLDNIQQFWMPBR-IQXZIZCFSA-N
XLogP4.02
TPSA131.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.60
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[5-[[1-(3,3-difluorocyclobutyl)-2-oxopyridin-3-yl]amino]-3-[[(3S)-3-hydroxycyclopentyl]methylidenecarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 146560279
tert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 146560498
tert-butyl N-[5-[[1-[(2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 146560511
3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one
CID 146569857
1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one
CID 146570213
1-[(1S,2S)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,2S)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one
CID 146570470
tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 146572591
1-(3,3-difluorocyclobutyl)-3-[[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one
CID 146572596
1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one
CID 153486181
tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[2-[(3R)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 153486355
1-(3-fluorocyclobutyl)-3-[[3-[2-[(3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one
CID 153486359
tert-butyl N-[5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-(oxolane-3-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;methanamine
CID 153566437

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (CID 153486300) is tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn([C@@H]3C[C@H]3F)c2=O)nc2c(C(=O)CC3CC[C@H](O)C3)cnn12.
What is the InChIKey of tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The InChIKey is QRLDNIQQFWMPBR-IQXZIZCFSA-N. The full InChI is InChI=1S/C27H33FN6O5/c1-27(2,3)39-26(38)32(4)23-13-22(30-19-6-5-9-33(25(19)37)20-12-18(20)28)31-24-17(14-29-34(23)24)21(36)11-15-7-8-16(35)10-15/h5-6,9,13-16,18,20,35H,7-8,10-12H2,1-4H3,(H,30,31)/t15?,16-,18+,20+/m0/s1.
What are the key properties of tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate has a molecular weight of 540.60 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 153486300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).