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

C21H24FN7O2 — CID 137449913

IUPACN-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(oxan-3-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc(C3CCCOC3)n2)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C21H24FN7O2/c1-23-19-9-18(27-17-6-2-5-15(25-17)12-4-3-7-31-11-12)28-20-13(10-24-29(19)20)21(30)26-16-8-14(16)22/h2,5-6,9-10,12,14,16,23H,3-4,7-8,11H2,1H3,(H,26,30)(H,25,27,28)/t12?,14-,16+/m0/s1
InChIKeyCZGMCVHARZRRJP-OTZYVQGASA-N
MW425.47 g/mol
LogP2.64
Rot. Bonds6

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

N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(oxan-3-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449913) has the molecular formula C21H24FN7O2 and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(oxan-3-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(oxan-3-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449913
Molecular FormulaC21H24FN7O2
Molecular Weight425.47 g/mol
Exact Mass425.20
IUPAC NameN-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(oxan-3-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc(C3CCCOC3)n2)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C21H24FN7O2/c1-23-19-9-18(27-17-6-2-5-15(25-17)12-4-3-7-31-11-12)28-20-13(10-24-29(19)20)21(30)26-16-8-14(16)22/h2,5-6,9-10,12,14,16,23H,3-4,7-8,11H2,1H3,(H,26,30)(H,25,27,28)/t12?,14-,16+/m0/s1
InChIKeyCZGMCVHARZRRJP-OTZYVQGASA-N
XLogP2.64
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(oxan-3-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(oxan-3-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449913) is N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(oxan-3-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(oxan-3-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(oxan-3-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc(C3CCCOC3)n2)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.
What is the InChIKey of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(oxan-3-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CZGMCVHARZRRJP-OTZYVQGASA-N. The full InChI is InChI=1S/C21H24FN7O2/c1-23-19-9-18(27-17-6-2-5-15(25-17)12-4-3-7-31-11-12)28-20-13(10-24-29(19)20)21(30)26-16-8-14(16)22/h2,5-6,9-10,12,14,16,23H,3-4,7-8,11H2,1H3,(H,26,30)(H,25,27,28)/t12?,14-,16+/m0/s1.
What are the key properties of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(oxan-3-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(oxan-3-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 425.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(oxan-3-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).