5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H30FN7O3 — CID 67500102

IUPAC5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCN(CCO)CC3)c2n1
InChIInChI=1S/C24H30FN7O3/c1-35-24-18(13-16(25)14-26-24)20-3-2-7-31(20)21-6-10-32-22(29-21)19(15-27-32)23(34)28-17-4-8-30(9-5-17)11-12-33/h6,10,13-15,17,20,33H,2-5,7-9,11-12H2,1H3,(H,28,34)/t20-/m1/s1
InChIKeySXFVRQSCLPLRFN-HXUWFJFHSA-N
MW483.55 g/mol
LogP1.80
Rot. Bonds7

About 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500102) has the molecular formula C24H30FN7O3 and a molecular weight of 483.55 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500102
Molecular FormulaC24H30FN7O3
Molecular Weight483.55 g/mol
Exact Mass483.24
IUPAC Name5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCN(CCO)CC3)c2n1
InChIInChI=1S/C24H30FN7O3/c1-35-24-18(13-16(25)14-26-24)20-3-2-7-31(20)21-6-10-32-22(29-21)19(15-27-32)23(34)28-17-4-8-30(9-5-17)11-12-33/h6,10,13-15,17,20,33H,2-5,7-9,11-12H2,1H3,(H,28,34)/t20-/m1/s1
InChIKeySXFVRQSCLPLRFN-HXUWFJFHSA-N
XLogP1.80
TPSA108.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500102) is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCN(CCO)CC3)c2n1.
What is the InChIKey of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SXFVRQSCLPLRFN-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30FN7O3/c1-35-24-18(13-16(25)14-26-24)20-3-2-7-31(20)21-6-10-32-22(29-21)19(15-27-32)23(34)28-17-4-8-30(9-5-17)11-12-33/h6,10,13-15,17,20,33H,2-5,7-9,11-12H2,1H3,(H,28,34)/t20-/m1/s1.
What are the key properties of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).