N-(3-aminopropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H22FN7O2 — CID 66853767

IUPACN-(3-aminopropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNCCCNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c[nH]c3=O)nc12
InChIInChI=1S/C19H22FN7O2/c20-12-9-13(18(28)23-10-12)15-3-1-7-26(15)16-4-8-27-17(25-16)14(11-24-27)19(29)22-6-2-5-21/h4,8-11,15H,1-3,5-7,21H2,(H,22,29)(H,23,28)/t15-/m1/s1
InChIKeyVMUKQRHNARMWLU-OAHLLOKOSA-N
MW399.43 g/mol
LogP0.98
Rot. Bonds6

About N-(3-aminopropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-aminopropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66853767) has the molecular formula C19H22FN7O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66853767
Molecular FormulaC19H22FN7O2
Molecular Weight399.43 g/mol
Exact Mass399.18
IUPAC NameN-(3-aminopropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNCCCNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c[nH]c3=O)nc12
InChIInChI=1S/C19H22FN7O2/c20-12-9-13(18(28)23-10-12)15-3-1-7-26(15)16-4-8-27-17(25-16)14(11-24-27)19(29)22-6-2-5-21/h4,8-11,15H,1-3,5-7,21H2,(H,22,29)(H,23,28)/t15-/m1/s1
InChIKeyVMUKQRHNARMWLU-OAHLLOKOSA-N
XLogP0.98
TPSA121.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66853767) is N-(3-aminopropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NCCCNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c[nH]c3=O)nc12.
What is the InChIKey of N-(3-aminopropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VMUKQRHNARMWLU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22FN7O2/c20-12-9-13(18(28)23-10-12)15-3-1-7-26(15)16-4-8-27-17(25-16)14(11-24-27)19(29)22-6-2-5-21/h4,8-11,15H,1-3,5-7,21H2,(H,22,29)(H,23,28)/t15-/m1/s1.
What are the key properties of N-(3-aminopropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-aminopropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66853767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).