cis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide

C24H25N7O2 — CID 139469137

IUPACcis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCn1cc(C[C@H]2C[C@@H]2C(=O)Nc2cc3cc(-c4cnccc4CCO)nc(N)c3cn2)cn1
InChIInChI=1S/C24H25N7O2/c1-31-13-14(10-28-31)6-16-7-18(16)24(33)30-22-9-17-8-21(29-23(25)20(17)12-27-22)19-11-26-4-2-15(19)3-5-32/h2,4,8-13,16,18,32H,3,5-7H2,1H3,(H2,25,29)(H,27,30,33)/t16-,18-/m0/s1
InChIKeyIRYUHPGAPFEEQM-WMZOPIPTSA-N
MW443.51 g/mol
LogP2.36
Rot. Bonds7

About cis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide

cis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 139469137) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is cis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID139469137
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Namecis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCn1cc(C[C@H]2C[C@@H]2C(=O)Nc2cc3cc(-c4cnccc4CCO)nc(N)c3cn2)cn1
InChIInChI=1S/C24H25N7O2/c1-31-13-14(10-28-31)6-16-7-18(16)24(33)30-22-9-17-8-21(29-23(25)20(17)12-27-22)19-11-26-4-2-15(19)3-5-32/h2,4,8-13,16,18,32H,3,5-7H2,1H3,(H2,25,29)(H,27,30,33)/t16-,18-/m0/s1
InChIKeyIRYUHPGAPFEEQM-WMZOPIPTSA-N
XLogP2.36
TPSA131.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze cis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344959
N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344605
N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 135344454
[(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate
CID 140921107
3-(4-ethyl-3-pyridinyl)-6-N-(1-methylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
CID 135344997
cis-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide
CID 139469052
cis-(1R,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135344871
cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide
CID 140921089
N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135344868
N-[8-amino-6-(4-propan-2-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135344416
trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 157256552
N-[8-amino-6-(1,5-dimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135344388

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide (CID 139469137) is cis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide is Cn1cc(C[C@H]2C[C@@H]2C(=O)Nc2cc3cc(-c4cnccc4CCO)nc(N)c3cn2)cn1.
What is the InChIKey of cis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is IRYUHPGAPFEEQM-WMZOPIPTSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-31-13-14(10-28-31)6-16-7-18(16)24(33)30-22-9-17-8-21(29-23(25)20(17)12-27-22)19-11-26-4-2-15(19)3-5-32/h2,4,8-13,16,18,32H,3,5-7H2,1H3,(H2,25,29)(H,27,30,33)/t16-,18-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 139469137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).