[1-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C23H29N5O2 — CID 133298633

IUPAC[1-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc2[nH]cc(C3CCN(c4cc(N5CCCC5CO)ncn4)CC3)c2c1
InChIInChI=1S/C23H29N5O2/c1-30-18-4-5-21-19(11-18)20(13-24-21)16-6-9-27(10-7-16)22-12-23(26-15-25-22)28-8-2-3-17(28)14-29/h4-5,11-13,15-17,24,29H,2-3,6-10,14H2,1H3
InChIKeyWGCMGNJZFZSVEX-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.31
Rot. Bonds5

About [1-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133298633) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is [1-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133298633
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name[1-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc2[nH]cc(C3CCN(c4cc(N5CCCC5CO)ncn4)CC3)c2c1
InChIInChI=1S/C23H29N5O2/c1-30-18-4-5-21-19(11-18)20(13-24-21)16-6-9-27(10-7-16)22-12-23(26-15-25-22)28-8-2-3-17(28)14-29/h4-5,11-13,15-17,24,29H,2-3,6-10,14H2,1H3
InChIKeyWGCMGNJZFZSVEX-UHFFFAOYSA-N
XLogP3.31
TPSA77.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133298633) is [1-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is COc1ccc2[nH]cc(C3CCN(c4cc(N5CCCC5CO)ncn4)CC3)c2c1.
What is the InChIKey of [1-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is WGCMGNJZFZSVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-30-18-4-5-21-19(11-18)20(13-24-21)16-6-9-27(10-7-16)22-12-23(26-15-25-22)28-8-2-3-17(28)14-29/h4-5,11-13,15-17,24,29H,2-3,6-10,14H2,1H3.
What are the key properties of [1-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 407.52 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133298633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).