N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H21FN8O2 — CID 137449335

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc(N3CCCC3=O)n2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C20H21FN8O2/c1-22-17-9-15(25-14-4-2-5-16(26-14)28-7-3-6-18(28)30)27-19-11(10-23-29(17)19)20(31)24-13-8-12(13)21/h2,4-5,9-10,12-13,22H,3,6-8H2,1H3,(H,24,31)(H,25,26,27)/t12-,13+/m1/s1
InChIKeyAOUWJZKVPVIZCY-OLZOCXBDSA-N
MW424.44 g/mol
LogP1.88
Rot. Bonds6

About N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449335) has the molecular formula C20H21FN8O2 and a molecular weight of 424.44 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449335
Molecular FormulaC20H21FN8O2
Molecular Weight424.44 g/mol
Exact Mass424.18
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc(N3CCCC3=O)n2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C20H21FN8O2/c1-22-17-9-15(25-14-4-2-5-16(26-14)28-7-3-6-18(28)30)27-19-11(10-23-29(17)19)20(31)24-13-8-12(13)21/h2,4-5,9-10,12-13,22H,3,6-8H2,1H3,(H,24,31)(H,25,26,27)/t12-,13+/m1/s1
InChIKeyAOUWJZKVPVIZCY-OLZOCXBDSA-N
XLogP1.88
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(2-oxopyrrolidin-1-yl)-2-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-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449335) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc(N3CCCC3=O)n2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AOUWJZKVPVIZCY-OLZOCXBDSA-N. The full InChI is InChI=1S/C20H21FN8O2/c1-22-17-9-15(25-14-4-2-5-16(26-14)28-7-3-6-18(28)30)27-19-11(10-23-29(17)19)20(31)24-13-8-12(13)21/h2,4-5,9-10,12-13,22H,3,6-8H2,1H3,(H,24,31)(H,25,26,27)/t12-,13+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.44 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).