4-fluoro-5-(1H-indazol-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yl-2H-pyrimidin-2-amine

C24H28FN7 — CID 175955857

IUPAC4-fluoro-5-(1H-indazol-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yl-2H-pyrimidin-2-amine
SMILESCC(C)N1C=C(c2ccc3cn[nH]c3c2)C(F)=NC1Nc1ccc(C2CCNCC2)cn1
InChIInChI=1S/C24H28FN7/c1-15(2)32-14-20(17-3-4-19-13-28-31-21(19)11-17)23(25)30-24(32)29-22-6-5-18(12-27-22)16-7-9-26-10-8-16/h3-6,11-16,24,26H,7-10H2,1-2H3,(H,27,29)(H,28,31)
InChIKeyQXXATOYDPBRBQP-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.25
Rot. Bonds5

About 4-fluoro-5-(1H-indazol-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yl-2H-pyrimidin-2-amine

4-fluoro-5-(1H-indazol-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yl-2H-pyrimidin-2-amine (PubChem CID 175955857) has the molecular formula C24H28FN7 and a molecular weight of 433.54 g/mol. Its IUPAC name is 4-fluoro-5-(1H-indazol-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yl-2H-pyrimidin-2-amine.

Molecular Properties

Compound Name4-fluoro-5-(1H-indazol-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yl-2H-pyrimidin-2-amine
PubChem CID175955857
Molecular FormulaC24H28FN7
Molecular Weight433.54 g/mol
Exact Mass433.24
IUPAC Name4-fluoro-5-(1H-indazol-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yl-2H-pyrimidin-2-amine
SMILESCC(C)N1C=C(c2ccc3cn[nH]c3c2)C(F)=NC1Nc1ccc(C2CCNCC2)cn1
InChIInChI=1S/C24H28FN7/c1-15(2)32-14-20(17-3-4-19-13-28-31-21(19)11-17)23(25)30-24(32)29-22-6-5-18(12-27-22)16-7-9-26-10-8-16/h3-6,11-16,24,26H,7-10H2,1-2H3,(H,27,29)(H,28,31)
InChIKeyQXXATOYDPBRBQP-UHFFFAOYSA-N
XLogP4.25
TPSA81.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(1H-indazol-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yl-2H-pyrimidin-2-amine?
The IUPAC name of 4-fluoro-5-(1H-indazol-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yl-2H-pyrimidin-2-amine (CID 175955857) is 4-fluoro-5-(1H-indazol-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yl-2H-pyrimidin-2-amine.
What is the SMILES notation for 4-fluoro-5-(1H-indazol-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yl-2H-pyrimidin-2-amine?
The canonical SMILES for 4-fluoro-5-(1H-indazol-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yl-2H-pyrimidin-2-amine is CC(C)N1C=C(c2ccc3cn[nH]c3c2)C(F)=NC1Nc1ccc(C2CCNCC2)cn1.
What is the InChIKey of 4-fluoro-5-(1H-indazol-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yl-2H-pyrimidin-2-amine?
The InChIKey is QXXATOYDPBRBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7/c1-15(2)32-14-20(17-3-4-19-13-28-31-21(19)11-17)23(25)30-24(32)29-22-6-5-18(12-27-22)16-7-9-26-10-8-16/h3-6,11-16,24,26H,7-10H2,1-2H3,(H,27,29)(H,28,31).
What are the key properties of 4-fluoro-5-(1H-indazol-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yl-2H-pyrimidin-2-amine?
4-fluoro-5-(1H-indazol-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yl-2H-pyrimidin-2-amine has a molecular weight of 433.54 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(1H-indazol-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yl-2H-pyrimidin-2-amine is sourced from PubChem (CID 175955857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).