trans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C23H22ClN7O2 — CID 135344583

IUPACtrans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3c(Cl)c(-c4cnccc4CCO)nc(N)c3cn2)cn1
InChIInChI=1S/C23H22ClN7O2/c1-31-11-13(8-28-31)14-6-16(14)23(33)29-19-7-15-18(10-27-19)22(25)30-21(20(15)24)17-9-26-4-2-12(17)3-5-32/h2,4,7-11,14,16,32H,3,5-6H2,1H3,(H2,25,30)(H,27,29,33)/t14-,16+/m0/s1
InChIKeyFUHXLRIFVDZOQM-GOEBONIOSA-N
MW463.93 g/mol
LogP2.94
Rot. Bonds6

About trans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135344583) has the molecular formula C23H22ClN7O2 and a molecular weight of 463.93 g/mol. Its IUPAC name is trans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135344583
Molecular FormulaC23H22ClN7O2
Molecular Weight463.93 g/mol
Exact Mass463.15
IUPAC Nametrans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3c(Cl)c(-c4cnccc4CCO)nc(N)c3cn2)cn1
InChIInChI=1S/C23H22ClN7O2/c1-31-11-13(8-28-31)14-6-16(14)23(33)29-19-7-15-18(10-27-19)22(25)30-21(20(15)24)17-9-26-4-2-12(17)3-5-32/h2,4,7-11,14,16,32H,3,5-6H2,1H3,(H2,25,30)(H,27,29,33)/t14-,16+/m0/s1
InChIKeyFUHXLRIFVDZOQM-GOEBONIOSA-N
XLogP2.94
TPSA131.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze trans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-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 135344583) is trans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3c(Cl)c(-c4cnccc4CCO)nc(N)c3cn2)cn1.
What is the InChIKey of trans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is FUHXLRIFVDZOQM-GOEBONIOSA-N. The full InChI is InChI=1S/C23H22ClN7O2/c1-31-11-13(8-28-31)14-6-16(14)23(33)29-19-7-15-18(10-27-19)22(25)30-21(20(15)24)17-9-26-4-2-12(17)3-5-32/h2,4,7-11,14,16,32H,3,5-6H2,1H3,(H2,25,30)(H,27,29,33)/t14-,16+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 463.93 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135344583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).