N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H26FN9O3 — CID 137449331

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccc(C(=O)N4CCCC4)cn3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C26H26FN9O3/c1-28-22-12-20(33-23-16(14-30-36(22)23)24(37)32-19-11-17(19)27)31-18-5-4-10-35(26(18)39)21-7-6-15(13-29-21)25(38)34-8-2-3-9-34/h4-7,10,12-14,17,19,28H,2-3,8-9,11H2,1H3,(H,31,33)(H,32,37)/t17-,19+/m1/s1
InChIKeyRXRAHUAOBGUJOA-MJGOQNOKSA-N
MW531.55 g/mol
LogP2.14
Rot. Bonds7

About N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449331) has the molecular formula C26H26FN9O3 and a molecular weight of 531.55 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449331
Molecular FormulaC26H26FN9O3
Molecular Weight531.55 g/mol
Exact Mass531.21
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccc(C(=O)N4CCCC4)cn3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C26H26FN9O3/c1-28-22-12-20(33-23-16(14-30-36(22)23)24(37)32-19-11-17(19)27)31-18-5-4-10-35(26(18)39)21-7-6-15(13-29-21)25(38)34-8-2-3-9-34/h4-7,10,12-14,17,19,28H,2-3,8-9,11H2,1H3,(H,31,33)(H,32,37)/t17-,19+/m1/s1
InChIKeyRXRAHUAOBGUJOA-MJGOQNOKSA-N
XLogP2.14
TPSA138.55 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.55
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449331) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccc(C(=O)N4CCCC4)cn3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RXRAHUAOBGUJOA-MJGOQNOKSA-N. The full InChI is InChI=1S/C26H26FN9O3/c1-28-22-12-20(33-23-16(14-30-36(22)23)24(37)32-19-11-17(19)27)31-18-5-4-10-35(26(18)39)21-7-6-15(13-29-21)25(38)34-8-2-3-9-34/h4-7,10,12-14,17,19,28H,2-3,8-9,11H2,1H3,(H,31,33)(H,32,37)/t17-,19+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 531.55 g/mol, XLogP of 2.14, 7 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]-7-(methylamino)-5-[[2-oxo-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).