N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H29FN8O3 — CID 137449370

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncccc1Nc1cc(NCCCN2CCOCC2)n2ncc(C(=O)N[C@H]3C[C@H]3F)c2n1
InChIInChI=1S/C23H29FN8O3/c1-34-23-17(4-2-5-26-23)28-19-13-20(25-6-3-7-31-8-10-35-11-9-31)32-21(30-19)15(14-27-32)22(33)29-18-12-16(18)24/h2,4-5,13-14,16,18,25H,3,6-12H2,1H3,(H,28,30)(H,29,33)/t16-,18+/m1/s1
InChIKeyOPEVKEWTSIAWTE-AEFFLSMTSA-N
MW484.54 g/mol
LogP1.85
Rot. Bonds10

About N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449370) has the molecular formula C23H29FN8O3 and a molecular weight of 484.54 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449370
Molecular FormulaC23H29FN8O3
Molecular Weight484.54 g/mol
Exact Mass484.23
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncccc1Nc1cc(NCCCN2CCOCC2)n2ncc(C(=O)N[C@H]3C[C@H]3F)c2n1
InChIInChI=1S/C23H29FN8O3/c1-34-23-17(4-2-5-26-23)28-19-13-20(25-6-3-7-31-8-10-35-11-9-31)32-21(30-19)15(14-27-32)22(33)29-18-12-16(18)24/h2,4-5,13-14,16,18,25H,3,6-12H2,1H3,(H,28,30)(H,29,33)/t16-,18+/m1/s1
InChIKeyOPEVKEWTSIAWTE-AEFFLSMTSA-N
XLogP1.85
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449370) is N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncccc1Nc1cc(NCCCN2CCOCC2)n2ncc(C(=O)N[C@H]3C[C@H]3F)c2n1.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OPEVKEWTSIAWTE-AEFFLSMTSA-N. The full InChI is InChI=1S/C23H29FN8O3/c1-34-23-17(4-2-5-26-23)28-19-13-20(25-6-3-7-31-8-10-35-11-9-31)32-21(30-19)15(14-27-32)22(33)29-18-12-16(18)24/h2,4-5,13-14,16,18,25H,3,6-12H2,1H3,(H,28,30)(H,29,33)/t16-,18+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 484.54 g/mol, XLogP of 1.85, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).