N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23FN8O2 — CID 137449185

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc(N3CCOCC3)n2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C20H23FN8O2/c1-22-18-10-16(25-15-3-2-4-17(26-15)28-5-7-31-8-6-28)27-19-12(11-23-29(18)19)20(30)24-14-9-13(14)21/h2-4,10-11,13-14,22H,5-9H2,1H3,(H,24,30)(H,25,26,27)/t13-,14+/m1/s1
InChIKeyLIXYNCPTBASDGQ-KGLIPLIRSA-N
MW426.46 g/mol
LogP1.59
Rot. Bonds6

About N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449185) has the molecular formula C20H23FN8O2 and a molecular weight of 426.46 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449185
Molecular FormulaC20H23FN8O2
Molecular Weight426.46 g/mol
Exact Mass426.19
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc(N3CCOCC3)n2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C20H23FN8O2/c1-22-18-10-16(25-15-3-2-4-17(26-15)28-5-7-31-8-6-28)27-19-12(11-23-29(18)19)20(30)24-14-9-13(14)21/h2-4,10-11,13-14,22H,5-9H2,1H3,(H,24,30)(H,25,26,27)/t13-,14+/m1/s1
InChIKeyLIXYNCPTBASDGQ-KGLIPLIRSA-N
XLogP1.59
TPSA108.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449185) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-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-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc(N3CCOCC3)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-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LIXYNCPTBASDGQ-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H23FN8O2/c1-22-18-10-16(25-15-3-2-4-17(26-15)28-5-7-31-8-6-28)27-19-12(11-23-29(18)19)20(30)24-14-9-13(14)21/h2-4,10-11,13-14,22H,5-9H2,1H3,(H,24,30)(H,25,26,27)/t13-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 426.46 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).