cis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide

C24H26N6O2 — CID 178122450

IUPACcis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESCNc1ncc(C#Cc2ccc(C(C)(C)OC)cn2)c2cc(NC(=O)[C@H]3C[C@H]3C)nnc12
InChIInChI=1S/C24H26N6O2/c1-14-10-18(14)23(31)28-20-11-19-15(12-27-22(25-4)21(19)30-29-20)6-8-17-9-7-16(13-26-17)24(2,3)32-5/h7,9,11-14,18H,10H2,1-5H3,(H,25,27)(H,28,29,31)/t14-,18+/m1/s1
InChIKeyMPRCCIRSLNCUFR-KDOFPFPSSA-N
MW430.51 g/mol
LogP3.34
Rot. Bonds5

About cis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 178122450) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is cis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID178122450
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Namecis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESCNc1ncc(C#Cc2ccc(C(C)(C)OC)cn2)c2cc(NC(=O)[C@H]3C[C@H]3C)nnc12
InChIInChI=1S/C24H26N6O2/c1-14-10-18(14)23(31)28-20-11-19-15(12-27-22(25-4)21(19)30-29-20)6-8-17-9-7-16(13-26-17)24(2,3)32-5/h7,9,11-14,18H,10H2,1-5H3,(H,25,27)(H,28,29,31)/t14-,18+/m1/s1
InChIKeyMPRCCIRSLNCUFR-KDOFPFPSSA-N
XLogP3.34
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze cis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide (CID 178122450) is cis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide is CNc1ncc(C#Cc2ccc(C(C)(C)OC)cn2)c2cc(NC(=O)[C@H]3C[C@H]3C)nnc12.
What is the InChIKey of cis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is MPRCCIRSLNCUFR-KDOFPFPSSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-14-10-18(14)23(31)28-20-11-19-15(12-27-22(25-4)21(19)30-29-20)6-8-17-9-7-16(13-26-17)24(2,3)32-5/h7,9,11-14,18H,10H2,1-5H3,(H,25,27)(H,28,29,31)/t14-,18+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 178122450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).