N-[(3,5-dichloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

C19H13Cl2N5O — CID 127047589

IUPACN-[(3,5-dichloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCc1c(Cl)cncc1Cl)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C19H13Cl2N5O/c20-15-9-23-10-16(21)14(15)8-24-19(27)12-1-2-17-13(7-12)18(26-25-17)11-3-5-22-6-4-11/h1-7,9-10H,8H2,(H,24,27)(H,25,26)
InChIKeyBBCPGZQFIGPLPC-UHFFFAOYSA-N
MW398.25 g/mol
LogP4.26
Rot. Bonds4

About N-[(3,5-dichloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

N-[(3,5-dichloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 127047589) has the molecular formula C19H13Cl2N5O and a molecular weight of 398.25 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID127047589
Molecular FormulaC19H13Cl2N5O
Molecular Weight398.25 g/mol
Exact Mass397.05
IUPAC NameN-[(3,5-dichloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCc1c(Cl)cncc1Cl)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C19H13Cl2N5O/c20-15-9-23-10-16(21)14(15)8-24-19(27)12-1-2-17-13(7-12)18(26-25-17)11-3-5-22-6-4-11/h1-7,9-10H,8H2,(H,24,27)(H,25,26)
InChIKeyBBCPGZQFIGPLPC-UHFFFAOYSA-N
XLogP4.26
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-(3,5-dichlorophenyl)-1H-indazole-5-carboxamide
CID 77844662
N-(5,6-dichloro-3-pyridinyl)-1H-indazole-5-carboxamide
CID 77844666
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
Hymenialdisine, 28o
CID 135499824
4-chloro-N'-[1-(1H-indol-5-yl)ethylidene]benzohydrazide
CID 9615860
N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 2999812
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one
CID 11249157
2-(5-(1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-5-carbonyl)-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 25114098
[4-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 44389674
1H-Indole-5-carboxylic acid [1''-(3,4-dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-amide
CID 44399385
(1-(2-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(1-methyl-1H-indol-5-yl)methanone
CID 44426955

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3,5-dichloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 127047589) is N-[(3,5-dichloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3,5-dichloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3,5-dichloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is O=C(NCc1c(Cl)cncc1Cl)c1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of N-[(3,5-dichloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is BBCPGZQFIGPLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O/c20-15-9-23-10-16(21)14(15)8-24-19(27)12-1-2-17-13(7-12)18(26-25-17)11-3-5-22-6-4-11/h1-7,9-10H,8H2,(H,24,27)(H,25,26).
What are the key properties of N-[(3,5-dichloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
N-[(3,5-dichloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 398.25 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).