4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide

C22H21FN6O3 — CID 164867310

IUPAC4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide
SMILESCOc1ccc2c(n1)COC[C@H]2N(C)C(=O)c1cc2c(cc1F)nc(N)c1c2cnn1C
InChIInChI=1S/C22H21FN6O3/c1-28(18-10-32-9-17-11(18)4-5-19(26-17)31-3)22(30)13-6-12-14-8-25-29(2)20(14)21(24)27-16(12)7-15(13)23/h4-8,18H,9-10H2,1-3H3,(H2,24,27)/t18-/m1/s1
InChIKeyHZBBAUHYWAIOQX-GOSISDBHSA-N
MW436.45 g/mol
LogP2.59
Rot. Bonds3

About 4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide

4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide (PubChem CID 164867310) has the molecular formula C22H21FN6O3 and a molecular weight of 436.45 g/mol. Its IUPAC name is 4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide
PubChem CID164867310
Molecular FormulaC22H21FN6O3
Molecular Weight436.45 g/mol
Exact Mass436.17
IUPAC Name4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide
SMILESCOc1ccc2c(n1)COC[C@H]2N(C)C(=O)c1cc2c(cc1F)nc(N)c1c2cnn1C
InChIInChI=1S/C22H21FN6O3/c1-28(18-10-32-9-17-11(18)4-5-19(26-17)31-3)22(30)13-6-12-14-8-25-29(2)20(14)21(24)27-16(12)7-15(13)23/h4-8,18H,9-10H2,1-3H3,(H2,24,27)/t18-/m1/s1
InChIKeyHZBBAUHYWAIOQX-GOSISDBHSA-N
XLogP2.59
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide (CID 164867310) is 4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide is COc1ccc2c(n1)COC[C@H]2N(C)C(=O)c1cc2c(cc1F)nc(N)c1c2cnn1C.
What is the InChIKey of 4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide?
The InChIKey is HZBBAUHYWAIOQX-GOSISDBHSA-N. The full InChI is InChI=1S/C22H21FN6O3/c1-28(18-10-32-9-17-11(18)4-5-19(26-17)31-3)22(30)13-6-12-14-8-25-29(2)20(14)21(24)27-16(12)7-15(13)23/h4-8,18H,9-10H2,1-3H3,(H2,24,27)/t18-/m1/s1.
What are the key properties of 4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide?
4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide has a molecular weight of 436.45 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 164867310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).