[(3S)-3-fluoropyrrolidin-1-yl]-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone

C19H18FN7O — CID 134198081

IUPAC[(3S)-3-fluoropyrrolidin-1-yl]-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone
SMILESCn1nc(C(=O)N2CC[C@H](F)C2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C19H18FN7O/c1-26-15-9-12(22-18-17-14(23-24-18)3-2-7-21-17)4-5-13(15)16(25-26)19(28)27-8-6-11(20)10-27/h2-5,7,9,11H,6,8,10H2,1H3,(H2,22,23,24)/t11-/m0/s1
InChIKeyHDOUYWYJYQRUQW-NSHDSACASA-N
MW379.40 g/mol
LogP2.77
Rot. Bonds3

About [(3S)-3-fluoropyrrolidin-1-yl]-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone

[(3S)-3-fluoropyrrolidin-1-yl]-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone (PubChem CID 134198081) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is [(3S)-3-fluoropyrrolidin-1-yl]-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-fluoropyrrolidin-1-yl]-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone
PubChem CID134198081
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name[(3S)-3-fluoropyrrolidin-1-yl]-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone
SMILESCn1nc(C(=O)N2CC[C@H](F)C2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C19H18FN7O/c1-26-15-9-12(22-18-17-14(23-24-18)3-2-7-21-17)4-5-13(15)16(25-26)19(28)27-8-6-11(20)10-27/h2-5,7,9,11H,6,8,10H2,1H3,(H2,22,23,24)/t11-/m0/s1
InChIKeyHDOUYWYJYQRUQW-NSHDSACASA-N
XLogP2.77
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone?
The IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone (CID 134198081) is [(3S)-3-fluoropyrrolidin-1-yl]-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone.
What is the SMILES notation for [(3S)-3-fluoropyrrolidin-1-yl]-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone?
The canonical SMILES for [(3S)-3-fluoropyrrolidin-1-yl]-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone is Cn1nc(C(=O)N2CC[C@H](F)C2)c2ccc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of [(3S)-3-fluoropyrrolidin-1-yl]-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone?
The InChIKey is HDOUYWYJYQRUQW-NSHDSACASA-N. The full InChI is InChI=1S/C19H18FN7O/c1-26-15-9-12(22-18-17-14(23-24-18)3-2-7-21-17)4-5-13(15)16(25-26)19(28)27-8-6-11(20)10-27/h2-5,7,9,11H,6,8,10H2,1H3,(H2,22,23,24)/t11-/m0/s1.
What are the key properties of [(3S)-3-fluoropyrrolidin-1-yl]-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone?
[(3S)-3-fluoropyrrolidin-1-yl]-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone has a molecular weight of 379.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-fluoropyrrolidin-1-yl]-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone is sourced from PubChem (CID 134198081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).