N-[(2S)-1-fluoro-2-bicyclo[1.1.0]butanyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H19F2N9O2 — CID 146383335

IUPACN-[(2S)-1-fluoro-2-bicyclo[1.1.0]butanyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cn(-c3cnn(C)c3)c2=O)nc2c(C(=O)N[C@H]3C4CC43F)cnn12
InChIInChI=1S/C21H19F2N9O2/c1-24-16-4-15(27-14-3-10(22)8-31(20(14)34)11-6-25-30(2)9-11)28-18-12(7-26-32(16)18)19(33)29-17-13-5-21(13,17)23/h3-4,6-9,13,17,24H,5H2,1-2H3,(H,27,28)(H,29,33)/t13?,17-,21?/m0/s1
InChIKeyDUXHKCBHKUDYPC-IBBFCSCYSA-N
MW467.44 g/mol
LogP1.38
Rot. Bonds6

About N-[(2S)-1-fluoro-2-bicyclo[1.1.0]butanyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2S)-1-fluoro-2-bicyclo[1.1.0]butanyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146383335) has the molecular formula C21H19F2N9O2 and a molecular weight of 467.44 g/mol. Its IUPAC name is N-[(2S)-1-fluoro-2-bicyclo[1.1.0]butanyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-fluoro-2-bicyclo[1.1.0]butanyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146383335
Molecular FormulaC21H19F2N9O2
Molecular Weight467.44 g/mol
Exact Mass467.16
IUPAC NameN-[(2S)-1-fluoro-2-bicyclo[1.1.0]butanyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cn(-c3cnn(C)c3)c2=O)nc2c(C(=O)N[C@H]3C4CC43F)cnn12
InChIInChI=1S/C21H19F2N9O2/c1-24-16-4-15(27-14-3-10(22)8-31(20(14)34)11-6-25-30(2)9-11)28-18-12(7-26-32(16)18)19(33)29-17-13-5-21(13,17)23/h3-4,6-9,13,17,24H,5H2,1-2H3,(H,27,28)(H,29,33)/t13?,17-,21?/m0/s1
InChIKeyDUXHKCBHKUDYPC-IBBFCSCYSA-N
XLogP1.38
TPSA123.17 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(2S)-1-fluoro-2-bicyclo[1.1.0]butanyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-fluoro-2-bicyclo[1.1.0]butanyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-1-fluoro-2-bicyclo[1.1.0]butanyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146383335) is N-[(2S)-1-fluoro-2-bicyclo[1.1.0]butanyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-fluoro-2-bicyclo[1.1.0]butanyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-fluoro-2-bicyclo[1.1.0]butanyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(F)cn(-c3cnn(C)c3)c2=O)nc2c(C(=O)N[C@H]3C4CC43F)cnn12.
What is the InChIKey of N-[(2S)-1-fluoro-2-bicyclo[1.1.0]butanyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DUXHKCBHKUDYPC-IBBFCSCYSA-N. The full InChI is InChI=1S/C21H19F2N9O2/c1-24-16-4-15(27-14-3-10(22)8-31(20(14)34)11-6-25-30(2)9-11)28-18-12(7-26-32(16)18)19(33)29-17-13-5-21(13,17)23/h3-4,6-9,13,17,24H,5H2,1-2H3,(H,27,28)(H,29,33)/t13?,17-,21?/m0/s1.
What are the key properties of N-[(2S)-1-fluoro-2-bicyclo[1.1.0]butanyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2S)-1-fluoro-2-bicyclo[1.1.0]butanyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 467.44 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-fluoro-2-bicyclo[1.1.0]butanyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146383335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).