N-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide

C24H29N5O3 — CID 126938334

IUPACN-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCC1CCCCN1CCn1nc2c(cc1=O)COCC2)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H29N5O3/c30-23-14-18-16-32-12-8-21(18)27-29(23)11-10-28-9-4-3-6-19(28)15-25-24(31)22-13-17-5-1-2-7-20(17)26-22/h1-2,5,7,13-14,19,26H,3-4,6,8-12,15-16H2,(H,25,31)
InChIKeyYPXUUFDKFAVNPK-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.08
Rot. Bonds6

About N-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide

N-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 126938334) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide
PubChem CID126938334
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCC1CCCCN1CCn1nc2c(cc1=O)COCC2)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H29N5O3/c30-23-14-18-16-32-12-8-21(18)27-29(23)11-10-28-9-4-3-6-19(28)15-25-24(31)22-13-17-5-1-2-7-20(17)26-22/h1-2,5,7,13-14,19,26H,3-4,6,8-12,15-16H2,(H,25,31)
InChIKeyYPXUUFDKFAVNPK-UHFFFAOYSA-N
XLogP2.08
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 126937972
1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 126938378
N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide
CID 126938010
2-[2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938404
2-[2-[2-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938056
2-[2-[2-[(1,3-thiazol-2-ylamino)methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938403
2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938481
N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 126938157
1-methyl-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]triazole-4-carboxamide
CID 126937983
N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 126938178
N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 126938203
2-[2-[2-[(pyrido[3,4-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938482

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide (CID 126938334) is N-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide is O=C(NCC1CCCCN1CCn1nc2c(cc1=O)COCC2)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is YPXUUFDKFAVNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c30-23-14-18-16-32-12-8-21(18)27-29(23)11-10-28-9-4-3-6-19(28)15-25-24(31)22-13-17-5-1-2-7-20(17)26-22/h1-2,5,7,13-14,19,26H,3-4,6,8-12,15-16H2,(H,25,31).
What are the key properties of N-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide?
N-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 126938334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).