4-[4-(1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;1-propylpiperidine

About 4-[4-(1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;1-propylpiperidine

4-[4-(1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;1-propylpiperidine (PubChem CID 143483214) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is 4-[4-(1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;1-propylpiperidine.

Molecular Properties

Compound Name	4-[4-(1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;1-propylpiperidine
PubChem CID	143483214
Molecular Formula	C28H35N7O
Molecular Weight	485.64 g/mol
Exact Mass	485.29
IUPAC Name	4-[4-(1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;1-propylpiperidine
SMILES	CCCN1CCCCC1.O=CN1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ccnc3[nH]2)CC1
InChI	InChI=1S/C20H18N6O.C8H17N/c27-12-26-7-4-13(5-8-26)19-10-16-18(3-6-21-20(16)24-19)23-15-1-2-17-14(9-15)11-22-25-17;1-2-6-9-7-4-3-5-8-9/h1-4,6,9-12H,5,7-8H2,(H,22,25)(H2,21,23,24);2-8H2,1H3
InChIKey	MTBVSXFGBLQNNH-UHFFFAOYSA-N
XLogP	5.31
TPSA	92.94 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.64
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;1-propylpiperidine?

The IUPAC name of 4-[4-(1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;1-propylpiperidine (CID 143483214) is 4-[4-(1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;1-propylpiperidine.

What is the SMILES notation for 4-[4-(1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;1-propylpiperidine?

The canonical SMILES for 4-[4-(1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;1-propylpiperidine is CCCN1CCCCC1.O=CN1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ccnc3[nH]2)CC1.

What is the InChIKey of 4-[4-(1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;1-propylpiperidine?

The InChIKey is MTBVSXFGBLQNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O.C8H17N/c27-12-26-7-4-13(5-8-26)19-10-16-18(3-6-21-20(16)24-19)23-15-1-2-17-14(9-15)11-22-25-17;1-2-6-9-7-4-3-5-8-9/h1-4,6,9-12H,5,7-8H2,(H,22,25)(H2,21,23,24);2-8H2,1H3.

What are the key properties of 4-[4-(1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;1-propylpiperidine?

4-[4-(1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;1-propylpiperidine has a molecular weight of 485.64 g/mol, XLogP of 5.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;1-propylpiperidine is sourced from PubChem (CID 143483214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).