N-[8-amino-6-[6-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C22H24FN7O — CID 135344394

IUPACN-[8-amino-6-[6-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1cc(N2CC[C@H](N)C2)ncc1-c1cc2cc(NC(=O)C3CC3F)ncc2c(N)n1
InChIInChI=1S/C22H24FN7O/c1-11-4-20(30-3-2-13(24)10-30)27-8-15(11)18-5-12-6-19(26-9-16(12)21(25)28-18)29-22(31)14-7-17(14)23/h4-6,8-9,13-14,17H,2-3,7,10,24H2,1H3,(H2,25,28)(H,26,29,31)/t13-,14?,17?/m0/s1
InChIKeyWKBMVXPIKCFIAU-CBCUQQMYSA-N
MW421.48 g/mol
LogP2.42
Rot. Bonds4

About N-[8-amino-6-[6-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

N-[8-amino-6-[6-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 135344394) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[8-amino-6-[6-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-amino-6-[6-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID135344394
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC NameN-[8-amino-6-[6-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1cc(N2CC[C@H](N)C2)ncc1-c1cc2cc(NC(=O)C3CC3F)ncc2c(N)n1
InChIInChI=1S/C22H24FN7O/c1-11-4-20(30-3-2-13(24)10-30)27-8-15(11)18-5-12-6-19(26-9-16(12)21(25)28-18)29-22(31)14-7-17(14)23/h4-6,8-9,13-14,17H,2-3,7,10,24H2,1H3,(H2,25,28)(H,26,29,31)/t13-,14?,17?/m0/s1
InChIKeyWKBMVXPIKCFIAU-CBCUQQMYSA-N
XLogP2.42
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 157171811
tert-butyl N-[5-[1-amino-6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]carbamate
CID 139468624
4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide
CID 139468854
N-[8-amino-6-(1,5-dimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135344388
N-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135344858
cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-oxo-1H-pyridin-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 139468861
cis-(1R,2R)-N-[8-amino-6-(7-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 139468629
cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 157062355
trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(2-methyl-3H-pyrazol-1-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 142447635
cis-(1S,2S)-N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135345077
cis-(1S,2S)-N-[8-amino-6-[(2R)-2-propylpyrrolidin-1-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 142447473
cis-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide
CID 139469052

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-[6-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[8-amino-6-[6-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 135344394) is N-[8-amino-6-[6-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-amino-6-[6-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[8-amino-6-[6-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is Cc1cc(N2CC[C@H](N)C2)ncc1-c1cc2cc(NC(=O)C3CC3F)ncc2c(N)n1.
What is the InChIKey of N-[8-amino-6-[6-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is WKBMVXPIKCFIAU-CBCUQQMYSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-11-4-20(30-3-2-13(24)10-30)27-8-15(11)18-5-12-6-19(26-9-16(12)21(25)28-18)29-22(31)14-7-17(14)23/h4-6,8-9,13-14,17H,2-3,7,10,24H2,1H3,(H2,25,28)(H,26,29,31)/t13-,14?,17?/m0/s1.
What are the key properties of N-[8-amino-6-[6-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
N-[8-amino-6-[6-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-[6-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135344394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).