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

C23H22ClN7O2 — CID 135344584

IUPACtrans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1[nH]ncc1[C@@H]1C[C@H]1C(=O)Nc1cc2c(Cl)c(-c3cnccc3CCO)nc(N)c2cn1
InChIInChI=1S/C23H22ClN7O2/c1-11-16(10-28-31-11)13-6-15(13)23(33)29-19-7-14-18(9-27-19)22(25)30-21(20(14)24)17-8-26-4-2-12(17)3-5-32/h2,4,7-10,13,15,32H,3,5-6H2,1H3,(H2,25,30)(H,28,31)(H,27,29,33)/t13-,15-/m1/s1
InChIKeyVUENKMPURJRMDH-UKRRQHHQSA-N
MW463.93 g/mol
LogP3.24
Rot. Bonds6

About trans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(5-methyl-1H-pyrazol-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-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135344584) 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-(5-methyl-1H-pyrazol-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-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135344584
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-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1[nH]ncc1[C@@H]1C[C@H]1C(=O)Nc1cc2c(Cl)c(-c3cnccc3CCO)nc(N)c2cn1
InChIInChI=1S/C23H22ClN7O2/c1-11-16(10-28-31-11)13-6-15(13)23(33)29-19-7-14-18(9-27-19)22(25)30-21(20(14)24)17-8-26-4-2-12(17)3-5-32/h2,4,7-10,13,15,32H,3,5-6H2,1H3,(H2,25,30)(H,28,31)(H,27,29,33)/t13-,15-/m1/s1
InChIKeyVUENKMPURJRMDH-UKRRQHHQSA-N
XLogP3.24
TPSA142.70 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze trans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(5-methyl-1H-pyrazol-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-(5-methyl-1H-pyrazol-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-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide (CID 135344584) is trans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(5-methyl-1H-pyrazol-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-(5-methyl-1H-pyrazol-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-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide is Cc1[nH]ncc1[C@@H]1C[C@H]1C(=O)Nc1cc2c(Cl)c(-c3cnccc3CCO)nc(N)c2cn1.
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-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is VUENKMPURJRMDH-UKRRQHHQSA-N. The full InChI is InChI=1S/C23H22ClN7O2/c1-11-16(10-28-31-11)13-6-15(13)23(33)29-19-7-14-18(9-27-19)22(25)30-21(20(14)24)17-8-26-4-2-12(17)3-5-32/h2,4,7-10,13,15,32H,3,5-6H2,1H3,(H2,25,30)(H,28,31)(H,27,29,33)/t13-,15-/m1/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-(5-methyl-1H-pyrazol-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-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 463.93 g/mol, XLogP of 3.24, 6 rotatable bonds, 4 hydrogen bond donors, and 7 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-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135344584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).