3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole

C24H16FN5S — CID 137038002

IUPAC3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3cc4c(-c5ccc(F)s5)cncc4[nH]3)c2c1
InChIInChI=1S/C24H16FN5S/c1-13-6-7-26-10-17(13)14-2-3-19-16(8-14)24(30-29-19)20-9-15-18(11-27-12-21(15)28-20)22-4-5-23(25)31-22/h2-12,28H,1H3,(H,29,30)
InChIKeyKDJUNRVIRUKMFX-UHFFFAOYSA-N
MW425.49 g/mol
LogP6.34
Rot. Bonds3

About 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole

3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole (PubChem CID 137038002) has the molecular formula C24H16FN5S and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole.

Molecular Properties

Compound Name3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole
PubChem CID137038002
Molecular FormulaC24H16FN5S
Molecular Weight425.49 g/mol
Exact Mass425.11
IUPAC Name3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3cc4c(-c5ccc(F)s5)cncc4[nH]3)c2c1
InChIInChI=1S/C24H16FN5S/c1-13-6-7-26-10-17(13)14-2-3-19-16(8-14)24(30-29-19)20-9-15-18(11-27-12-21(15)28-20)22-4-5-23(25)31-22/h2-12,28H,1H3,(H,29,30)
InChIKeyKDJUNRVIRUKMFX-UHFFFAOYSA-N
XLogP6.34
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole?
The IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole (CID 137038002) is 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole.
What is the SMILES notation for 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole?
The canonical SMILES for 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole is Cc1ccncc1-c1ccc2[nH]nc(-c3cc4c(-c5ccc(F)s5)cncc4[nH]3)c2c1.
What is the InChIKey of 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole?
The InChIKey is KDJUNRVIRUKMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5S/c1-13-6-7-26-10-17(13)14-2-3-19-16(8-14)24(30-29-19)20-9-15-18(11-27-12-21(15)28-20)22-4-5-23(25)31-22/h2-12,28H,1H3,(H,29,30).
What are the key properties of 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole?
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole has a molecular weight of 425.49 g/mol, XLogP of 6.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole is sourced from PubChem (CID 137038002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).