N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H29FN8O2 — CID 137450146

IUPACN-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCCN(CCF)C3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C23H29FN8O2/c1-25-20-12-19(29-21-17(13-26-32(20)21)22(33)27-15-6-7-15)28-18-5-3-10-31(23(18)34)16-4-2-9-30(14-16)11-8-24/h3,5,10,12-13,15-16,25H,2,4,6-9,11,14H2,1H3,(H,27,33)(H,28,29)
InChIKeyCQWYIOBITONZLG-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.17
Rot. Bonds8

About N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450146) has the molecular formula C23H29FN8O2 and a molecular weight of 468.54 g/mol. Its IUPAC name is N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450146
Molecular FormulaC23H29FN8O2
Molecular Weight468.54 g/mol
Exact Mass468.24
IUPAC NameN-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCCN(CCF)C3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C23H29FN8O2/c1-25-20-12-19(29-21-17(13-26-32(20)21)22(33)27-15-6-7-15)28-18-5-3-10-31(23(18)34)16-4-2-9-30(14-16)11-8-24/h3,5,10,12-13,15-16,25H,2,4,6-9,11,14H2,1H3,(H,27,33)(H,28,29)
InChIKeyCQWYIOBITONZLG-UHFFFAOYSA-N
XLogP2.17
TPSA108.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450146) is N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCCN(CCF)C3)c2=O)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CQWYIOBITONZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN8O2/c1-25-20-12-19(29-21-17(13-26-32(20)21)22(33)27-15-6-7-15)28-18-5-3-10-31(23(18)34)16-4-2-9-30(14-16)11-8-24/h3,5,10,12-13,15-16,25H,2,4,6-9,11,14H2,1H3,(H,27,33)(H,28,29).
What are the key properties of N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).